Consensus flow list

2-phenoxyethyl 2-methylpropanoate

fo-398a64d159888170

Identity

Type
Neutral molecule
CAS
103-60-6
EC
203-127-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2-phenoxyethyl 2-methylpropanoate

Alternative labels

7

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string MJTPMXWJHPOWGH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H16O3/c1-10(2)12(13)15-9-8-14-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
IUPAC name chemrof:IUPAC_name 2-phenoxyethyl 2-methylpropanoate
Molecular formula chemrof:molecular_formula C12H16O3
Molecular mass chemrof:molecular_mass 208.257
Monoisotopic mass chemrof:monoisotopic_mass 208.10994, 208.109944
SMILES string chemrof:smiles_string CC(C)C(=O)OCCOc1ccccc1

Known URLs

15

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=103-60-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:173600 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.843 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.54966.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7042279 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=227210 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=406209 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3182892 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/2-phenoxyethyl-isobutyrate enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/43ENB1627Z enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0040218 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J182.167I enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=48911 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/61005 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27258647 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
bc277b9a-e356-4a40-ac39-b9d5c4ba899b Environmental → Air → Aircraft cruise height EF 3.1 kg 2
455a1430-b1b1-4962-959a-b76b968ade38 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
922a7178-312c-4dd6-868b-6c593353c213 Environmental → Air → Indoor EF 3.1 kg 2
2a07934d-42ef-46b5-b6fb-bc4b3c8ccbe4 Environmental → Air → Long-term EF 3.1 kg 0
3a82b258-8daf-4219-994a-f7a231e256ed Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
a925e48f-0d32-4a7c-a279-1cf9c5adfc31 Environmental → Air → Unknown EF 3.1 kg 2
0ea04af3-502d-495d-b13b-40bd7b69f372 Environmental → Ground → Agricultural EF 3.1 kg 2
7f6dc449-97f3-4457-8a43-67d6f86fe98e Environmental → Ground → Non-agricultural EF 3.1 kg 2
065934e7-b77f-480f-ad31-9072f885f339 Environmental → Ground → Unknown EF 3.1 kg 2
32018667-15e2-4e52-92b8-c7c2daf298f6 Environmental → Water → Long-term EF 3.1 kg 0
d071167d-6d81-4ab9-b6c5-c0adc0b28edf Environmental → Water → Ocean EF 3.1 kg 2
12c3feec-14af-4cb9-81b7-8cab8b015ea4 Environmental → Water → Surface water EF 3.1 kg 2
2e89914d-f1c9-402a-be9e-294552d2bb17 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
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}

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